(E,3R)-hept-4-en-3-ol

C7H14O — CID 11007865

IUPAC(E,3R)-hept-4-en-3-ol
SMILESCC/C=C/[C@H](O)CC
InChIInChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h5-8H,3-4H2,1-2H3/b6-5+/t7-/m1/s1
InChIKeyVOGZQUBNQCQGNN-WEWAHIQMSA-N
MW114.19 g/mol
LogP1.72
Rot. Bonds3

About (E,3R)-hept-4-en-3-ol

(E,3R)-hept-4-en-3-ol (PubChem CID 11007865) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is (E,3R)-hept-4-en-3-ol.

Molecular Properties

Compound Name(E,3R)-hept-4-en-3-ol
PubChem CID11007865
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name(E,3R)-hept-4-en-3-ol
SMILESCC/C=C/[C@H](O)CC
InChIInChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h5-8H,3-4H2,1-2H3/b6-5+/t7-/m1/s1
InChIKeyVOGZQUBNQCQGNN-WEWAHIQMSA-N
XLogP1.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,3R)-hept-4-en-3-ol?
The IUPAC name of (E,3R)-hept-4-en-3-ol (CID 11007865) is (E,3R)-hept-4-en-3-ol.
What is the SMILES notation for (E,3R)-hept-4-en-3-ol?
The canonical SMILES for (E,3R)-hept-4-en-3-ol is CC/C=C/[C@H](O)CC.
What is the InChIKey of (E,3R)-hept-4-en-3-ol?
The InChIKey is VOGZQUBNQCQGNN-WEWAHIQMSA-N. The full InChI is InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h5-8H,3-4H2,1-2H3/b6-5+/t7-/m1/s1.
What are the key properties of (E,3R)-hept-4-en-3-ol?
(E,3R)-hept-4-en-3-ol has a molecular weight of 114.19 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R)-hept-4-en-3-ol is sourced from PubChem (CID 11007865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).